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PUBCHEM-ZINC03149888

 MMsINC code: MMs03001588
Type: Neutral
Formula: C15H11Cl3N2O3
SMILES:   Clc1ccccc1C(=O)NNC(=O)COc1ccc(Cl)cc1Cl
InChI:   InChI=1/C15H11Cl3N2O3/c16-9-5-6-13(12(18)7-9)23-8-14(21)19-20-15(22)10-3-1-2-4-11(10)17/h1-7H,8H2,(H,19,21)(H,20,22)

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Potential Energy
Epot(MMFF94)=97.6002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.623 g/mol  logS: -5.86309  SlogP: 3.4868  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00193987  Sterimol/B1: 2.37245  Sterimol/B2: 2.37765  Sterimol/B3: 3.59969
  Sterimol/B4: 6.51152  Sterimol/L: 19.9179 
 
 Surface and Volume Properties
  Accessible surface: 588.895  Positive charged surface: 228.371  Negative charged surface: 360.524  Volume: 304.25
  Hydrophobic surface: 492.749  Hydrophilic surface: 96.146
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.